HRID1225049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2773380

2,3-Dihydro-1-benzofuran-5-ylboronic acid

C8H9BO3

HCID24905337

3-Iodo-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C8H10IN5

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1nc(-c2ccc3c(c2)CCO3)c2c(N)ncnc21

HCID24905194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8f0748af2b84399a98ea0de9c110b3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][CH2:34][OH:35].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[I:13][c:14]1[n:15][n:16]([CH:24]([CH3:25])[CH3:26])[c:17]2[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]12.[Na+:31].[Na+:32].[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([B:10]([OH:11])[OH:12])[cH:9]2.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[O:1]1[CH2:2][CH2:3][c:4]2[c:5]1[cH:6][cH:7][c:8](-[c:14]1[n:15][n:16]([CH:24]([CH3:25])[CH3:26])[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]13)[cH:9]2